制备方法

1.制造氯苯乙酮(催泪气),制备氨基酸。用作酰化剂、萃取溶剂、有机合成中间体。 2.用于有机合成。

合成制备方法

用途简介

用途

1.制造氯苯乙酮（催泪气），制备氨基酸。用作酰化剂、萃取溶剂、有机合成中间体。

2.用于有机合成。^[17]

包装等级：

I

风险类别：

6.1

海关代码：

2915900090

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R14;R23/24/25;R35;R48/23;R50

安全说明：

S9-S26-S36/37/39-S45-S61-S7/8

RTECS号：

AO6475000

安全标志：

S9:保持容器在一个有良好通风放的场所。
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
S61:避免排放到环境中。参考专门的说明/安全数据表。
:

危险标志：

C:Corrosive

CHEMICAL IDENTIFICATION

RTECS NUMBER :

AO6475000

CHEMICAL NAME :

Acetyl chloride, chloro-

CAS REGISTRY NUMBER :

79-04-9

BEILSTEIN REFERENCE NO. :

0605439

LAST UPDATED :

199712

DATA ITEMS CITED :

27

MOLECULAR FORMULA :

C2-H2-Cl2-O

MOLECULAR WEIGHT :

112.94

WISWESSER LINE NOTATION :

GV1G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

208 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 5,123(89),1986

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1000 ppm/4H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,607,1969

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

662 mg/kg

TOXIC EFFECTS :

Skin and Appendages - corrosive (after topical exposure)

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 54(2),90,1989

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

220 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 54(2),90,1989

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1300 ppm/2H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 5,123(89),1986

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

32 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04538

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

316 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 5,123(89),1986 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1 ppm/6H/4W-I

TOXIC EFFECTS :

Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - somnolence (general depressed activity) Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0536493

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

5 ppm/6H/4W-I

TOXIC EFFECTS :

Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0536493

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - hamster

DOSE/DURATION :

5 ppm/6H/4W-I

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0536493 *** REVIEWS *** ACGIH TLV-STEL 0.69 mg/m3 (0.15 ppm) (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-TWA 0.23 mg/m3 (0.05 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 0.05 ppm (0.2 mg/m3) JAN 1993 OEL-BELGIUM:TWA 0.05 ppm (0.23 mg/m3) JAN 1993 OEL-DENMARK:TWA 0.05 ppm (0.2 mg/m3) JAN 1993 OEL-FRANCE:TWA 0.05 ppm (0.2 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 0.05 ppm (0.2 mg/m3) JAN 1993 OEL-RUSSIA:STEL 0.3 mg/m3;Skin JAN 1993 OEL-SWITZERLAND:TWA 0.05 ppm (0.24 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 0.05 ppm (0.2 mg/m3) JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO CHLOROACETYL CHLORIDE-air:10H TWA 0.05 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - A1131 No. of Facilities: 33 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 66 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1131 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 4354 (estimated) No. of Female Employees: 729 (estimated)

毒理学数据：

1.急性毒性^[10]

LD50：120mg/kg（大鼠经口）

LC50：4620mg/m³（大鼠吸入，4h）

2.刺激性  暂无资料

生态数据：

对水生物极毒。

中国海关编码：2915900090

概述：

2915900090. 其他饱和无环一元羧酸及其酸酐（酰卤、过氧）化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%

申报要素：

品名, 成分含量, 用途

监管条件：

A.入境货物通关单B.出境货物通关单

检验检疫：

R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验

摘要/Summary：

2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

分子结构数据

1、摩尔折射率：21.04

2、摩尔体积（cm³/mol）：81.4

3、等张比容（90.2K）：193.5

4、表面张力（dyne/cm）：31.9

5、极化率（10^-24cm³）：8.34

计算化学数据

1、疏水参数计算参考值（XlogP）：1.4

2、氢键供体数量：0

3、氢键受体数量：1

4、可旋转化学键数量：1

5、互变异构体数量：无

6、拓扑分子极性表面积（TPSA）：17.1

7、重原子数量：5

8、表面电荷：0

9、复杂度：42.9

10、同位素原子数量：0

11、确定原子立构中心数量：0

12、不确定原子立构中心数量：0

13、确定化学键立构中心数量：0

14、不确定化学键立构中心数量：0

15、共价键单元数量：1

• 
  氯乙酰氯红外图谱(IR1)
• 
  氯乙酰氯红外图谱(IR2)
• 
  氯乙酰氯红外图谱(IR3)
• 
  氯乙酰氯质谱(MS)
• 
  氯乙酰氯核磁图(¹³CNMR)
• 
  氯乙酰氯核磁图(¹HNMR)